| SpectraBase Spectrum ID |
1BdFdfMteq |
| Name |
Isopropyl stearate |
| CAS Registry Number |
112-10-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
326.318480590 u |
| Formula |
C21H42O2 |
| InChI |
InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3 |
| InChIKey |
ZPWFUIUNWDIYCJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
326.565 g/mol |
| Nominal Mass |
326 u |
| Quality |
924 |
| Retention Index |
2350 |
| SMILES |
C(OC(C)C)(CCCCCCCCCCCCCCCCC)=O |
| SPLASH |
splash10-0rrr-9440000000-e395c125fa6093f930c5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Octadecanoic acid,1-methylethyl ester
Wickenol 127
Propan-2-yl-octadecanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014268 |
